emmi.pipeline.batch_processors.position_normalization

Classes

PositionNormalizationBatchProcessor

Post-processes data on a batch-level to normalize positions.

Module Contents

class emmi.pipeline.batch_processors.position_normalization.PositionNormalizationBatchProcessor(items, raw_pos_min, raw_pos_max, scale=1000)

Bases: ksuit.data.pipeline.BatchProcessor

Post-processes data on a batch-level to normalize positions.

Initializes the PositionNormalizationPostCollator

Parameters:

• items (list[str]) – The position items to normalize.

• raw_pos_min (collections.abc.Sequence[float]) – The minimum position in the source domain.

• raw_pos_max (collections.abc.Sequence[float]) – The maximum position in the source domain.

• scale (int | float) – The maximum value of the position. Defaults to 1000.

items

scale = 1000

raw_pos_min_tensor

raw_pos_max_tensor

raw_size

denormalize(key, value)

Inverts the normalization from the __call__ method of a single item in the batch.

Parameters:

• key (str) – The name of the item.

• value (torch.Tensor) – The value of the item.

Returns:

The same name and the denormalized value.

Return type:

(key, value)